6-(5-chloro-2-ethoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine

C19H17ClN6O — CID 11361007

IUPAC6-(5-chloro-2-ethoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine
SMILESCCOc1ccc(Cl)cc1-c1cc(Nc2ccc3cn[nH]c3c2)nc(N)n1
InChIInChI=1S/C19H17ClN6O/c1-2-27-17-6-4-12(20)7-14(17)16-9-18(25-19(21)24-16)23-13-5-3-11-10-22-26-15(11)8-13/h3-10H,2H2,1H3,(H,22,26)(H3,21,23,24,25)
InChIKeyHJTYGBYWQGTVIS-UHFFFAOYSA-N
MW380.84 g/mol
LogP4.40
Rot. Bonds5

About 6-(5-chloro-2-ethoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine

6-(5-chloro-2-ethoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine (PubChem CID 11361007) has the molecular formula C19H17ClN6O and a molecular weight of 380.84 g/mol. Its IUPAC name is 6-(5-chloro-2-ethoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(5-chloro-2-ethoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine
PubChem CID11361007
Molecular FormulaC19H17ClN6O
Molecular Weight380.84 g/mol
Exact Mass380.12
IUPAC Name6-(5-chloro-2-ethoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine
SMILESCCOc1ccc(Cl)cc1-c1cc(Nc2ccc3cn[nH]c3c2)nc(N)n1
InChIInChI=1S/C19H17ClN6O/c1-2-27-17-6-4-12(20)7-14(17)16-9-18(25-19(21)24-16)23-13-5-3-11-10-22-26-15(11)8-13/h3-10H,2H2,1H3,(H,22,26)(H3,21,23,24,25)
InChIKeyHJTYGBYWQGTVIS-UHFFFAOYSA-N
XLogP4.40
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-ethoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(5-chloro-2-ethoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine (CID 11361007) is 6-(5-chloro-2-ethoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(5-chloro-2-ethoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(5-chloro-2-ethoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine is CCOc1ccc(Cl)cc1-c1cc(Nc2ccc3cn[nH]c3c2)nc(N)n1.
What is the InChIKey of 6-(5-chloro-2-ethoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine?
The InChIKey is HJTYGBYWQGTVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O/c1-2-27-17-6-4-12(20)7-14(17)16-9-18(25-19(21)24-16)23-13-5-3-11-10-22-26-15(11)8-13/h3-10H,2H2,1H3,(H,22,26)(H3,21,23,24,25).
What are the key properties of 6-(5-chloro-2-ethoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine?
6-(5-chloro-2-ethoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine has a molecular weight of 380.84 g/mol, XLogP of 4.40, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-ethoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 11361007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).